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16062-71-8 | 4H-3,1-Benzoxazin-4-one, 2-(trifluoromethyl)-
CAS No: 16062-71-8 Catalog No: AG001S2W MDL No:MFCD00175074
Product Description
Catalog Number:
AG001S2W
Chemical Name:
4H-3,1-Benzoxazin-4-one, 2-(trifluoromethyl)-
CAS Number:
16062-71-8
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
MDL Number:
MFCD00175074
IUPAC Name:
2-(trifluoromethyl)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C9H4F3NO2/c10-9(11,12)8-13-6-4-2-1-3-5(6)7(14)15-8/h1-4H
InChI Key:
GHLXPUXNDMOETG-UHFFFAOYSA-N
SMILES:
O=c1oc(nc2c1cccc2)C(F)(F)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.131g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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